4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

C18H16N2O2 — CID 91307807

IUPAC4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1ccc3ncccc3c1)C1CCC2C1
InChIInChI=1S/C18H16N2O2/c21-17-15-11-3-4-12(8-11)16(15)18(22)20(17)13-5-6-14-10(9-13)2-1-7-19-14/h1-2,5-7,9,11-12,21-22H,3-4,8H2
InChIKeyUMZPGEVBRGAEHH-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.80
Rot. Bonds1

About 4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol

4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (PubChem CID 91307807) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
PubChem CID91307807
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1ccc3ncccc3c1)C1CCC2C1
InChIInChI=1S/C18H16N2O2/c21-17-15-11-3-4-12(8-11)16(15)18(22)20(17)13-5-6-14-10(9-13)2-1-7-19-14/h1-2,5-7,9,11-12,21-22H,3-4,8H2
InChIKeyUMZPGEVBRGAEHH-UHFFFAOYSA-N
XLogP3.80
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol with MolForge

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Related Compounds

(1S,7R,8R,10S)-4-quinolin-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
CID 91307978
4-quinolin-7-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91933166
8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one
CID 62738405
6-(3-bromocyclopentyl)quinoline
CID 81221641
(1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90761301
N-hydroxyquinoline-6-carboximidoyl chloride
CID 123379056
2-quinolin-6-ylcyclohexan-1-ol
CID 81223909
2-cyclopropyl-3-methyl-5-quinolin-6-ylimidazol-4-amine
CID 63968686
6-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110454797
N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62634247
6-[5-(azetidin-3-yl)imidazol-1-yl]quinoline
CID 114719931
1-quinolin-6-ylimidazo[4,5-c]pyridin-2-amine
CID 79271506

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The IUPAC name of 4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol (CID 91307807) is 4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol.
What is the SMILES notation for 4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The canonical SMILES for 4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is Oc1c2c(c(O)n1-c1ccc3ncccc3c1)C1CCC2C1.
What is the InChIKey of 4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
The InChIKey is UMZPGEVBRGAEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17-15-11-3-4-12(8-11)16(15)18(22)20(17)13-5-6-14-10(9-13)2-1-7-19-14/h1-2,5-7,9,11-12,21-22H,3-4,8H2.
What are the key properties of 4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol?
4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol has a molecular weight of 292.34 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol is sourced from PubChem (CID 91307807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).